| CAS Number | 1198154-99-2 |
| Catalog Number | AG000POW(AGN-PC-0WCKJN) |
| Chemical Name | 2-Thiazolecarbonitrile, 5-bromo- |
| IUPAC Name | 5-bromo-1,3-thiazole-2-carbonitrile |
| InChI | InChI=1S/C4HBrN2S/c5-3-2-7-4(1-6)8-3/h2H |
| InChI Key | QSJXJKZBIOQIDK-UHFFFAOYSA-N |
| MDL Number | MFCD13181883 |
| Molecular Formula | C4HBrN2S |
| Molecular Weight | 189.0331 |
| SMILES | N#CC1=NC=C(Br)S1 |
| Synonyms | 1198154-99-2,
5-Bromothiazole-2-carbonitrile,
5-BROMO-1,3-THIAZOLE-2-CARBONITRILE,
5-BROMO-2-CYANOTHIAZOLE,
DTXSID60677939,
2-Thiazolecarbonitrile, 5-bromo-,
3419AA,
MFCD13181883,
ZINC72204559,
AKOS015944681,
PB18045,
KS-0000041M,
AS-50983,
AJ-120643,
CS-0050655,
FT-0759721,
C4HBrN2S,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.03g/mol |
| Monoisotopic Mass | 187.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
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\N
|
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Hazard statements
|
H302
|
|
Packing Group
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\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
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\N
|
Certificate of Analysis
Lot Number